4,5-bis(chloranyl)-3-oxidanyl-6-[(E)-1-phenylsulfanylhex-1-en-3-yl]oxy-benzene-1,2-dicarbonitrile

Systemtic Name: 4,5-bis(chloranyl)-3-oxidanyl-6-[(E)-1-phenylsulfanylhex-1-en-3-yl]oxy-benzene-1,2-dicarbonitrile Openeye Name: 4,5-dichloro-3-hydroxy-6-[1-[(E)-2-phenylsulfanylvinyl]butoxy]phthalonitrile CAS Name: 4,5-dichloro-3-hydroxy-6-[(E)-1-(phenylthio)hex-1-en-3-yl]oxybenzene-1,2-dicarbonitrile IUPAC Name: 4,5-dichloro-3-hydroxy-6-[(E)-1-phenylsulfanylhex-1-en-3-yl]oxybenzene-1,2-dicarbonitrile Traditional Name: 4,5-dichloro-3-hydroxy-6-[(E)-3-(phenylthio)-1-propyl-allyloxy]phthalonitrile Formula: C20H16Cl2N2O2S MolecularWeight: 419.32424

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C=CSC1=CC=CC=C1)OC2=C(C(=C(C(=C2C#N)C#N)O)Cl)Cl

Isomeric SMILES

CCCC(/C=C/SC1=CC=CC=C1)OC2=C(C(=C(C(=C2C#N)C#N)O)Cl)Cl

InChI

InChI=1S/C20H16Cl2N2O2S/c1-2-6-13(9-10-27-14-7-4-3-5-8-14)26-20-16(12-24)15(11-23)19(25)17(21)18(20)22/h3-5,7-10,13,25H,2,6H2,1H3/b10-9+